Information card for entry 2211543

Structure parameters

• Chemical name: [4-(2-Aminoethyl)-1,4,7,10-tetraazadecane]lithium chloride
• Formula: C8 H23 Cl Li N5
• Calculated formula: C8 H23 Cl Li N5
• SMILES: C1C[NH]2CC[N]34CC[NH2][Li]24([NH2]1)[NH2]CC3.[Cl-]
• Title of publication: [4-(2-Aminoethyl)-1,4,7,10-tetraazadecane]lithium chloride: a bilayered structure displaying the rare TRENEN ligand
• Authors of publication: Susanne Olsson; Anders Lennartson; Mikael Håkansson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3518 - m3520
• a: 12.079 ± 0.009 Å
• b: 7.914 ± 0.005 Å
• c: 13.559 ± 0.01 Å
• α: 90°
• β: 94.48 ± 0.03°
• γ: 90°
• Cell volume: 1292.2 ± 1.6 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes